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2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate

View entire compound with spectra: 2 NMR

2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate
SpectraBase Compound ID AJ3uHahMa6V
InChI InChI=1S/C21H19BrO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3
InChIKey CTGVFOIXEATLQC-UHFFFAOYSA-N
Mol Weight 415.28 g/mol
Molecular Formula C21H19BrO4
Exact Mass 414.046672 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BoZPyMRJzEg
Name 2H-pyran-2-one, 4-(benzoyloxy)-6-(4-bromophenyl)-5,6-dihydro-3,5,5-trimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.046672088 u
Formula C21H19BrO4
InChI InChI=1S/C21H19BrO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3
InChIKey CTGVFOIXEATLQC-UHFFFAOYSA-N
Molecular Weight 415.283 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17668
Solvent DMSO-d6
Source Vendor ID: NMR/10322130; Lab Info: GEI; Lab Number: GEI-SHE0147